3-butyl-6-methoxypyridazine

C9H14N2O — CID 138984661

IUPAC3-butyl-6-methoxypyridazine
SMILESCCCCc1ccc(OC)nn1
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-6-7-9(12-2)11-10-8/h6-7H,3-5H2,1-2H3
InChIKeyLCOCVLQMPOXWDD-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.83
Rot. Bonds4

About 3-butyl-6-methoxypyridazine

3-butyl-6-methoxypyridazine (PubChem CID 138984661) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 3-butyl-6-methoxypyridazine.

Molecular Properties

Compound Name3-butyl-6-methoxypyridazine
PubChem CID138984661
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name3-butyl-6-methoxypyridazine
SMILESCCCCc1ccc(OC)nn1
InChIInChI=1S/C9H14N2O/c1-3-4-5-8-6-7-9(12-2)11-10-8/h6-7H,3-5H2,1-2H3
InChIKeyLCOCVLQMPOXWDD-UHFFFAOYSA-N
XLogP1.83
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxycinnoline
CID 560720
3-Methoxy-6-methyl-1,6-dihydropyridazine 1-oxide
CID 494021
(6-Methoxypyridazin-3-yl)methanol
CID 13227305
3-(Chloromethyl)-6-methoxypyridazine
CID 23239696
(6-Methoxypyridazin-3-yl)methanamine
CID 62292461
3-Ethynyl-6-methoxypyridazine
CID 99978963
6-Methoxy-3,4-dimethylpyridazine
CID 130784986
3-[(4-Fluorophenyl)methyl]-6-methoxypyridazine
CID 45276200
3-Methoxy-6-methylpyridazine
CID 303677
4-(6-Methoxypyridazin-3-yl)benzonitrile
CID 16743326
3-Methoxy-5,6,7,8-tetrahydrocinnoline
CID 238182
4-Bromo-3-methoxy-6-methylpyridazine
CID 83680576

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methoxypyridazine?
The IUPAC name of 3-butyl-6-methoxypyridazine (CID 138984661) is 3-butyl-6-methoxypyridazine.
What is the SMILES notation for 3-butyl-6-methoxypyridazine?
The canonical SMILES for 3-butyl-6-methoxypyridazine is CCCCc1ccc(OC)nn1.
What is the InChIKey of 3-butyl-6-methoxypyridazine?
The InChIKey is LCOCVLQMPOXWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-4-5-8-6-7-9(12-2)11-10-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-butyl-6-methoxypyridazine?
3-butyl-6-methoxypyridazine has a molecular weight of 166.22 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methoxypyridazine is sourced from PubChem (CID 138984661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).